3-bromo-N-(1-cyclohexylpropyl)pyridin-4-amine

C14H21BrN2 — CID 104777009

IUPAC3-bromo-N-(1-cyclohexylpropyl)pyridin-4-amine
SMILESCCC(Nc1ccncc1Br)C1CCCCC1
InChIInChI=1S/C14H21BrN2/c1-2-13(11-6-4-3-5-7-11)17-14-8-9-16-10-12(14)15/h8-11,13H,2-7H2,1H3,(H,16,17)
InChIKeyXYUJCUKEHOHTOP-UHFFFAOYSA-N
MW297.24 g/mol
LogP4.61
Rot. Bonds4

About 3-bromo-N-(1-cyclohexylpropyl)pyridin-4-amine

3-bromo-N-(1-cyclohexylpropyl)pyridin-4-amine (PubChem CID 104777009) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 3-bromo-N-(1-cyclohexylpropyl)pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-(1-cyclohexylpropyl)pyridin-4-amine
PubChem CID104777009
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name3-bromo-N-(1-cyclohexylpropyl)pyridin-4-amine
SMILESCCC(Nc1ccncc1Br)C1CCCCC1
InChIInChI=1S/C14H21BrN2/c1-2-13(11-6-4-3-5-7-11)17-14-8-9-16-10-12(14)15/h8-11,13H,2-7H2,1H3,(H,16,17)
InChIKeyXYUJCUKEHOHTOP-UHFFFAOYSA-N
XLogP4.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(1-cyclopentylethyl)pyridin-4-amine
CID 104777077
2,5-dibromo-N-(1-cyclopropylpropyl)aniline
CID 64919710
5-bromo-N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline
CID 107286207
4-bromo-2-(1-cyclohexylpropylamino)benzonitrile
CID 114901777
2-N-(1-cyclohexylpropyl)pyridine-2,4-diamine
CID 55069644
N-(3-bromo-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 104777050
N-(2-bromophenyl)-1-cyclopentylethane-1,2-diamine
CID 65385964
3-bromo-N-(4-propylcyclohexyl)pyridin-4-amine
CID 104776939
N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline
CID 63540889
N-(7-bicyclo[4.1.0]heptanyl)-3-bromopyridin-4-amine
CID 130909438
N-(1-cyclohexylpropyl)-3-methylpyrazin-2-amine
CID 83064592
5-bromo-2-N-(1-cyclohexylpropyl)pyridine-2,3-diamine
CID 63406303

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-cyclohexylpropyl)pyridin-4-amine?
The IUPAC name of 3-bromo-N-(1-cyclohexylpropyl)pyridin-4-amine (CID 104777009) is 3-bromo-N-(1-cyclohexylpropyl)pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-(1-cyclohexylpropyl)pyridin-4-amine?
The canonical SMILES for 3-bromo-N-(1-cyclohexylpropyl)pyridin-4-amine is CCC(Nc1ccncc1Br)C1CCCCC1.
What is the InChIKey of 3-bromo-N-(1-cyclohexylpropyl)pyridin-4-amine?
The InChIKey is XYUJCUKEHOHTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-2-13(11-6-4-3-5-7-11)17-14-8-9-16-10-12(14)15/h8-11,13H,2-7H2,1H3,(H,16,17).
What are the key properties of 3-bromo-N-(1-cyclohexylpropyl)pyridin-4-amine?
3-bromo-N-(1-cyclohexylpropyl)pyridin-4-amine has a molecular weight of 297.24 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-cyclohexylpropyl)pyridin-4-amine is sourced from PubChem (CID 104777009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).